General Information of the Compound
| Compound ID |
CP0119105
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| Compound Name |
3-Methyl-2-(4-methyl-piperidine-1-carbonyl)-4-(tetrahydro-thiopyran-4-yl)-2H-isoxazol-5-one
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| Structure |
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| Formula |
C16H24N2O3S
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| Molecular Weight |
324.446
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| Canonical SMILES |
CC1CCN(CC1)C(=O)n1oc(=O)c(C2CCSCC2)c1C
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| InChI |
InChI=1S/C16H24N2O3S/c1-11-3-7-17(8-4-11)16(20)18-12(2)14(15(19)21-18)13-5-9-22-10-6-13/h11,13H,3-10H2,1-2H3
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| InChIKey |
BYLUYHAOVDDZTL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound